5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride

C15H20ClNO2 — CID 54609226

IUPAC5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccccc2)CC1N1CCCCC1
InChIInChI=1S/C15H19NO2.ClH/c17-15-13(16-9-5-2-6-10-16)11-14(18-15)12-7-3-1-4-8-12;/h1,3-4,7-8,13-14H,2,5-6,9-11H2;1H
InChIKeyKEFLORWFEGMHCW-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.95
Rot. Bonds2

About 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride

5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride (PubChem CID 54609226) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride
PubChem CID54609226
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccccc2)CC1N1CCCCC1
InChIInChI=1S/C15H19NO2.ClH/c17-15-13(16-9-5-2-6-10-16)11-14(18-15)12-7-3-1-4-8-12;/h1,3-4,7-8,13-14H,2,5-6,9-11H2;1H
InChIKeyKEFLORWFEGMHCW-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride?
The IUPAC name of 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride (CID 54609226) is 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride?
The canonical SMILES for 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride is Cl.O=C1OC(c2ccccc2)CC1N1CCCCC1.
What is the InChIKey of 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride?
The InChIKey is KEFLORWFEGMHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c17-15-13(16-9-5-2-6-10-16)11-14(18-15)12-7-3-1-4-8-12;/h1,3-4,7-8,13-14H,2,5-6,9-11H2;1H.
What are the key properties of 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride?
5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-piperidin-1-yloxolan-2-one;hydrochloride is sourced from PubChem (CID 54609226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).